Re-enable Windows Rust tests

.github/workflows/rust-tests.yml

@@ -51,21 +51,21 @@ jobs:
             cc: clang
             cmake-generator: Unix Makefiles
 
-          # - os: windows-2022
-          #   rust-version: stable
-          #   rust-target: x86_64-pc-windows-msvc
-          #   extra-name: " / MSVC"
-          #   cxx: cl.exe
-          #   cc: cl.exe
-          #   cmake-generator: Visual Studio 17 2022
-
-          # - os: windows-2022
-          #   rust-version: stable
-          #   rust-target: x86_64-pc-windows-gnu
-          #   extra-name: " / MinGW"
-          #   cxx: g++.exe
-          #   cc: gcc.exe
-          #   cmake-generator: MinGW Makefiles
+          - os: windows-2022
+            rust-version: stable
+            rust-target: x86_64-pc-windows-msvc
+            extra-name: " / MSVC"
+            cxx: cl.exe
+            cc: cl.exe
+            cmake-generator: Visual Studio 17 2022
+
+          - os: windows-2022
+            rust-version: stable
+            rust-target: x86_64-pc-windows-gnu
+            extra-name: " / MinGW"
+            cxx: g++.exe
+            cc: gcc.exe
+            cmake-generator: MinGW Makefiles
     steps:
       - name: install dependencies in container
         if: matrix.container == 'ubuntu:22.04'

metatomic-core/Cargo.toml

@@ -14,7 +14,7 @@ name = "metatomic"
 bench = false
 
 [dependencies]
-metatensor = { version = "0.3.0" }
+metatensor = { version = "0.4.1" }
 once_cell = "1"
 dlpk = { version = "0.3", features = ["ndarray"]}
 json = "0.12"

metatomic-core/src/system.rs

@@ -440,10 +440,10 @@ use ndarray::{Array1, Array2};
     fn valid_pair_block(dtype: &str) -> TensorBlock {
         let samples = Labels::new(
             ["first_atom", "second_atom", "cell_shift_a", "cell_shift_b", "cell_shift_c"],
-            &[[0i32, 1, 0, 0, 0]],
+            [[0i32, 1, 0, 0, 0]],
         );
-        let components = vec![Labels::new(["xyz"], &[[0i32], [1], [2]])];
-        let properties = Labels::new(["distance"], &[[0i32]]);
+        let components = vec![Labels::new(["xyz"], [[0i32], [1], [2]])];
+        let properties = Labels::new(["distance"], [[0i32]]);
 
         match dtype {
             "f32" => {
@@ -459,9 +459,9 @@ use ndarray::{Array1, Array2};
     }
 
     fn valid_custom_data(dtype: &str) -> TensorMap {
-        let keys = Labels::new(["key"], &[[0i32]]);
-        let samples = Labels::new(["sample"], &[[0i32]]);
-        let properties = Labels::new(["property"], &[[0i32]]);
+        let keys = Labels::new(["key"], [[0i32]]);
+        let samples = Labels::new(["sample"], [[0i32]]);
+        let properties = Labels::new(["property"], [[0i32]]);
 
         let block = match dtype {
             "f32" => {

metatomic-core/tests/CMakeLists.txt

@@ -55,6 +55,16 @@ endif()
 enable_testing()
 add_subdirectory(test-plugins)
 
+if (TARGET metatensor::shared)
+    get_target_property(METATENSOR_LOCATION metatensor::shared IMPORTED_LOCATION)
+    get_filename_component(METATENSOR_DIR ${METATENSOR_LOCATION} DIRECTORY)
+elseif (TARGET metatensor)
+    get_target_property(METATENSOR_LOCATION metatensor LOCATION)
+    get_filename_component(METATENSOR_DIR ${METATENSOR_LOCATION} DIRECTORY)
+else()
+    set(METATENSOR_DIR "")
+endif()
+
 file(GLOB ALL_TESTS *.cpp)
 foreach(_file_ ${ALL_TESTS})
     get_filename_component(_name_ ${_file_} NAME_WE)
@@ -71,19 +81,19 @@ foreach(_file_ ${ALL_TESTS})
         NO_SYSTEM_FROM_IMPORTED ON
     )
 
-    target_compile_definitions(${_name_} PRIVATE PLUGIN_DIR="${CMAKE_CURRENT_BINARY_DIR}/test-plugins")
+    target_compile_definitions(${_name_} PRIVATE PLUGIN_DIR="$<TARGET_FILE_DIR:test-c-plugin>")
 
     add_test(
         NAME ${_name_}
         COMMAND ${TEST_COMMAND} $<TARGET_FILE:${_name_}>
     )
 
     if(WIN32)
-        # We need to set the path to allow access to metatomic.dll
-        # this does a similar job to the BUILD_RPATH above
+        # We need to set the path to allow access to metatomic.dll and
+        # metatensor.dll. This does a similar job to the BUILD_RPATH above.
         STRING(REPLACE ";" "\\;" PATH_STRING "$ENV{PATH}")
         set_tests_properties(${_name_} PROPERTIES
-            ENVIRONMENT "PATH=${PATH_STRING}\;$<TARGET_FILE_DIR:metatomic>"
+            ENVIRONMENT "PATH=${PATH_STRING}\;$<TARGET_FILE_DIR:metatomic>\;${METATENSOR_DIR}"
         )
     endif()
 endforeach()

metatomic-core/tests/utils/mod.rs

@@ -255,7 +255,7 @@ pub fn setup_torch_pip(python: &Path) -> PathBuf {
 /// Install metatensor in a Python virtualenv with pip, and return the
 /// CMAKE_PREFIX_PATH for the installed libmetatensor.
 pub fn setup_metatensor_pip(python: &Path) -> PathBuf {
-    pip_install(python, &["metatensor-core >=0.2.0,<0.3"], PipInstallOptions::default());
+    pip_install(python, &["metatensor-core >=0.2.2,<0.3"], PipInstallOptions::default());
 
     let mut cmd = Command::new(python);
     cmd.arg("-c");
@@ -275,7 +275,7 @@ pub fn setup_metatensor_pip(python: &Path) -> PathBuf {
 /// Install metatensor-torch in a Python virtualenv with pip, and return the
 /// CMAKE_PREFIX_PATH for the installed libmetatensor_torch.
 pub fn setup_metatensor_torch_pip(python: &Path) -> PathBuf {
-    pip_install(python, &["metatensor-torch >=0.9.0,<0.10"], PipInstallOptions::default());
+    pip_install(python, &["metatensor-torch >=0.10.0,<0.11"], PipInstallOptions::default());
 
     let mut cmd = Command::new(python);
     cmd.arg("-c");

python/metatomic_core/pyproject.toml

@@ -36,7 +36,7 @@ requires = [
     "setuptools >=77",
     "packaging >=26",
     "cmake",
-    "metatensor-core >=0.2.0,<0.3",
+    "metatensor-core >=0.2.2,<0.3",
 ]
 
 build-backend = "setuptools.build_meta"

python/metatomic_core/setup.py

@@ -133,7 +133,7 @@ def create_version_number(version):
             authors = fd.read().splitlines()
 
     install_requires = [
-        "metatensor-core >=0.2.0,<0.3",
+        "metatensor-core >=0.2.2,<0.3",
     ]
 
     setup(